VTE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.36Å | 1.40Å | |
| O18 | C17 | doub | 1.22Å | 1.20Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C19 | sing | 1.48Å | 1.49Å | |
| C17 | C16 | sing | 1.47Å | 1.55Å | |
| C19 | C27 | doub | 1.40Å | 1.35Å | Aromatic |
| C16 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | O15 | sing | 1.35Å | 1.33Å | Aromatic |
| C28 | C29 | sing | 1.46Å | 1.38Å | Aromatic |
| C23 | O24 | sing | 1.36Å | 1.43Å | |
| C23 | C25 | doub | 1.39Å | 1.35Å | Aromatic |
| O15 | C14 | sing | 1.35Å | 1.38Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C29 | C14 | doub | 1.41Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | O26 | sing | 1.36Å | 1.45Å | |
| C14 | C13 | sing | 1.39Å | 1.49Å | Aromatic |
| C30 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C02 | sing | 1.48Å | 1.55Å | |
| O01 | C02 | doub | 1.22Å | 1.13Å | |
| C02 | N03 | sing | 1.35Å | 1.53Å | |
| N03 | C04 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N06 | C10 | sing | 1.48Å | 1.50Å | |
| N06 | C07 | sing | 1.48Å | 1.52Å | |
| N06 | C05 | sing | 1.47Å | 1.07Å | |
| C10 | C09 | sing | 1.54Å | 1.32Å | |
| C09 | C08 | sing | 1.55Å | 1.56Å | |
| C07 | C08 | sing | 1.55Å | 1.32Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| O22 | H19 | sing | 0.97Å | 0.95Å | |
| O24 | H20 | sing | 0.97Å | 0.95Å | |
| O26 | H21 | sing | 0.97Å | 0.95Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C20 | 121.4° | 120.0° |
| O22 | C21 | C23 | 120.3° | 120.0° |
| C21 | O22 | H19 | 109.5° | 114.0° |
| O18 | C17 | C19 | 116.6° | 120.0° |
| O18 | C17 | C16 | 131.8° | 120.0° |
| C21 | C20 | C19 | 116.8° | 120.0° |
| C20 | C21 | C23 | 118.3° | 120.0° |
| C21 | C20 | H4 | 121.6° | 120.0° |
| C20 | C19 | C17 | 118.8° | 120.1° |
| C20 | C19 | C27 | 124.9° | 119.9° |
| C19 | C20 | H4 | 121.6° | 120.0° |
| C21 | C23 | O24 | 116.4° | 120.0° |
| C21 | C23 | C25 | 124.9° | 120.1° |
| C19 | C17 | C16 | 111.6° | 120.0° |
| C17 | C19 | C27 | 116.2° | 120.0° |
| C17 | C16 | C28 | 119.9° | 125.1° |
| C17 | C16 | O15 | 132.0° | 125.2° |
| C19 | C27 | C25 | 118.0° | 119.9° |
| C19 | C27 | H22 | 121.0° | 120.1° |
| C28 | C16 | O15 | 108.0° | 109.7° |
| C16 | C28 | C29 | 107.7° | 106.0° |
| C16 | C28 | H5 | 126.1° | 127.0° |
| C16 | O15 | C14 | 108.8° | 111.0° |
| C28 | C29 | C14 | 107.1° | 105.7° |
| C28 | C29 | C30 | 131.2° | 134.1° |
| C29 | C28 | H5 | 126.1° | 127.0° |
| O24 | C23 | C25 | 118.3° | 119.9° |
| C23 | O24 | H20 | 109.5° | 114.0° |
| C23 | C25 | C27 | 117.0° | 120.0° |
| C23 | C25 | O26 | 122.3° | 120.0° |
| O15 | C14 | C29 | 108.4° | 107.6° |
| O15 | C14 | C13 | 133.2° | 133.0° |
| C27 | C25 | O26 | 120.7° | 120.0° |
| C25 | C27 | H22 | 121.0° | 120.0° |
| C14 | C29 | C30 | 121.7° | 120.2° |
| C29 | C14 | C13 | 118.4° | 119.4° |
| C29 | C30 | C11 | 119.8° | 119.4° |
| C29 | C30 | H23 | 120.1° | 120.3° |
| C25 | O26 | H21 | 109.5° | 114.0° |
| C14 | C13 | C12 | 120.3° | 120.4° |
| C14 | C13 | H3 | 119.9° | 119.9° |
| C30 | C11 | C12 | 119.3° | 119.9° |
| C30 | C11 | C02 | 118.6° | 120.1° |
| C11 | C30 | H23 | 120.1° | 120.3° |
| C13 | C12 | C11 | 120.5° | 120.8° |
| C12 | C13 | H3 | 119.8° | 119.8° |
| C13 | C12 | H18 | 119.7° | 119.6° |
| C12 | C11 | C02 | 122.1° | 120.0° |
| C11 | C12 | H18 | 119.8° | 119.6° |
| C11 | C02 | O01 | 120.7° | 120.0° |
| C11 | C02 | N03 | 120.7° | 120.0° |
| O01 | C02 | N03 | 118.6° | 120.0° |
| C02 | N03 | C04 | 125.6° | 120.0° |
| C02 | N03 | H6 | 117.2° | 120.0° |
| N03 | C04 | C05 | 114.8° | 109.5° |
| C04 | N03 | H6 | 117.2° | 120.0° |
| N03 | C04 | H7 | 108.1° | 109.5° |
| N03 | C04 | H8 | 108.1° | 109.5° |
| C04 | C05 | N06 | 109.3° | 109.5° |
| C05 | C04 | H7 | 108.1° | 109.5° |
| C05 | C04 | H8 | 108.1° | 109.5° |
| C04 | C05 | H9 | 109.5° | 109.5° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C10 | N06 | C07 | 105.3° | 105.8° |
| C10 | N06 | C05 | 111.3° | 111.0° |
| N06 | C10 | C09 | 104.8° | 107.1° |
| N06 | C10 | H1 | 110.6° | 109.9° |
| N06 | C10 | H2 | 110.6° | 110.1° |
| C07 | N06 | C05 | 110.2° | 111.0° |
| N06 | C07 | C08 | 107.0° | 103.3° |
| N06 | C07 | H12 | 110.1° | 110.7° |
| N06 | C07 | H13 | 110.1° | 110.7° |
| N06 | C05 | H9 | 109.5° | 109.5° |
| N06 | C05 | H10 | 109.5° | 109.4° |
| C10 | C09 | C08 | 106.3° | 105.1° |
| C09 | C10 | H1 | 110.7° | 109.9° |
| C09 | C10 | H2 | 110.6° | 109.9° |
| C10 | C09 | H16 | 110.3° | 110.3° |
| C10 | C09 | H17 | 110.3° | 110.3° |
| C09 | C08 | C07 | 106.5° | 102.9° |
| C09 | C08 | H14 | 110.2° | 110.7° |
| C09 | C08 | H15 | 110.2° | 110.9° |
| C08 | C09 | H16 | 110.3° | 110.3° |
| C08 | C09 | H17 | 110.3° | 110.3° |
| C08 | C07 | H12 | 110.1° | 110.7° |
| C08 | C07 | H13 | 110.1° | 110.7° |
| C07 | C08 | H14 | 110.2° | 110.7° |
| C07 | C08 | H15 | 110.2° | 110.8° |
| H1 | C10 | H2 | 109.5° | 109.9° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.5° | 110.7° |
| H14 | C08 | H15 | 109.4° | 110.6° |
| H16 | C09 | H17 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C20 | C23 | 178.3° | 180.0° |
| O22 | C21 | C20 | C19 | 179.8° | 180.0° |
| O22 | C21 | C23 | O24 | 4.6° | 0.0° |
| O22 | C21 | C23 | C25 | 177.6° | 180.0° |
| O22 | C21 | C20 | H4 | 0.3° | 0.3° |
| O18 | C17 | C19 | C20 | 32.1° | 6.1° |
| O18 | C17 | C19 | C16 | 178.0° | 180.0° |
| O18 | C17 | C19 | C27 | 149.3° | 173.9° |
| O18 | C17 | C16 | C28 | 135.6° | 5.2° |
| O18 | C17 | C16 | O15 | 48.7° | 174.8° |
| C21 | C20 | C19 | H4 | 180.0° | 179.6° |
| C21 | C20 | C19 | C17 | 178.8° | 180.0° |
| C21 | C20 | C19 | C27 | 0.3° | 0.0° |
| C20 | C21 | C23 | O24 | 177.1° | 180.0° |
| C20 | C21 | C23 | C25 | 4.1° | 0.0° |
| C20 | C21 | O22 | H19 | 180.0° | 90.0° |
| C19 | C20 | C21 | C23 | 1.5° | 0.0° |
| C20 | C19 | C17 | C27 | 178.6° | 180.0° |
| C20 | C19 | C17 | C16 | 145.9° | 173.9° |
| C20 | C19 | C27 | C25 | 0.2° | 0.0° |
| C20 | C19 | C27 | H22 | 179.8° | 179.9° |
| C21 | C23 | O24 | C25 | 173.4° | 179.9° |
| C21 | C23 | C25 | C27 | 4.5° | 0.1° |
| C21 | C23 | C25 | O26 | 177.6° | 179.9° |
| C23 | C21 | C20 | H4 | 178.5° | 179.7° |
| C23 | C21 | O22 | H19 | 1.8° | 90.0° |
| C21 | C23 | O24 | H20 | 180.0° | 90.0° |
| C19 | C17 | C16 | C28 | 42.0° | 174.8° |
| C19 | C17 | C16 | O15 | 133.7° | 5.2° |
| C17 | C19 | C27 | C25 | 178.3° | 180.0° |
| C17 | C19 | C20 | H4 | 1.2° | 0.3° |
| C17 | C19 | C27 | H22 | 1.7° | 0.1° |
| C16 | C17 | C19 | C27 | 32.7° | 6.1° |
| C17 | C16 | C28 | O15 | 176.7° | 180.0° |
| C17 | C16 | C28 | C29 | 177.4° | 180.0° |
| C17 | C16 | O15 | C14 | 177.2° | 180.0° |
| C17 | C16 | C28 | H5 | 2.6° | 0.0° |
| C19 | C27 | C25 | C23 | 2.5° | 0.1° |
| C19 | C27 | C25 | H22 | 180.0° | 179.9° |
| C19 | C27 | C25 | O26 | 179.6° | 179.9° |
| C27 | C19 | C20 | H4 | 179.7° | 179.7° |
| C16 | C28 | C29 | H5 | 180.0° | 180.0° |
| C28 | C16 | O15 | C14 | 1.1° | 0.0° |
| C16 | C28 | C29 | C14 | 0.1° | 0.0° |
| C16 | C28 | C29 | C30 | 178.8° | 180.0° |
| O15 | C16 | C28 | C29 | 0.7° | 0.0° |
| C16 | O15 | C14 | C29 | 1.0° | 0.0° |
| C16 | O15 | C14 | C13 | 179.0° | 180.0° |
| O15 | C16 | C28 | H5 | 179.3° | 180.0° |
| C28 | C29 | C14 | O15 | 0.6° | 0.0° |
| C28 | C29 | C14 | C30 | 179.0° | 180.0° |
| C28 | C29 | C14 | C13 | 179.5° | 180.0° |
| C28 | C29 | C30 | C11 | 179.4° | 179.7° |
| C28 | C29 | C30 | H23 | 0.6° | 0.0° |
| O24 | C23 | C25 | C27 | 177.4° | 180.0° |
| O24 | C23 | C25 | O26 | 4.7° | 0.2° |
| C23 | C25 | C27 | O26 | 177.9° | 179.8° |
| C25 | C23 | O24 | H20 | 6.6° | 90.1° |
| C23 | C25 | O26 | H21 | 180.0° | 90.0° |
| C23 | C25 | C27 | H22 | 177.5° | 180.0° |
| O15 | C14 | C29 | C13 | 179.9° | 180.0° |
| O15 | C14 | C29 | C30 | 179.5° | 180.0° |
| O15 | C14 | C13 | C12 | 180.0° | 180.0° |
| O15 | C14 | C13 | H3 | 0.0° | 0.3° |
| C27 | C25 | O26 | H21 | 2.2° | 89.8° |
| C14 | C29 | C30 | C11 | 0.7° | 0.2° |
| C29 | C14 | C13 | C12 | 0.1° | 0.0° |
| C29 | C14 | C13 | H3 | 179.9° | 179.7° |
| C14 | C29 | C28 | H5 | 179.9° | 180.0° |
| C14 | C29 | C30 | H23 | 179.3° | 179.9° |
| C30 | C29 | C14 | C13 | 0.5° | 0.0° |
| C29 | C30 | C11 | H23 | 180.0° | 179.7° |
| C29 | C30 | C11 | C12 | 0.4° | 0.5° |
| C29 | C30 | C11 | C02 | 178.9° | 180.0° |
| C30 | C29 | C28 | H5 | 1.3° | 0.1° |
| O26 | C25 | C27 | H22 | 0.4° | 0.2° |
| C14 | C13 | C12 | H3 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H18 | 179.8° | 179.7° |
| C30 | C11 | C12 | C13 | 0.0° | 0.6° |
| C30 | C11 | C12 | C02 | 179.3° | 179.5° |
| C30 | C11 | C02 | O01 | 130.0° | 0.6° |
| C30 | C11 | C02 | N03 | 50.9° | 179.5° |
| C30 | C11 | C12 | H18 | 180.0° | 179.4° |
| C13 | C12 | C11 | H18 | 180.0° | 180.0° |
| C13 | C12 | C11 | C02 | 179.3° | 179.9° |
| C12 | C11 | C02 | O01 | 50.7° | 180.0° |
| C12 | C11 | C02 | N03 | 128.4° | 0.0° |
| C11 | C12 | C13 | H3 | 179.8° | 180.0° |
| C12 | C11 | C30 | H23 | 179.5° | 179.7° |
| C11 | C02 | O01 | N03 | 179.1° | 180.0° |
| C11 | C02 | N03 | C04 | 1.4° | 180.0° |
| C11 | C02 | N03 | H6 | 178.6° | 0.1° |
| C02 | C11 | C12 | H18 | 0.7° | 0.0° |
| C02 | C11 | C30 | H23 | 1.1° | 0.3° |
| O01 | C02 | N03 | C04 | 179.5° | 0.0° |
| O01 | C02 | N03 | H6 | 0.5° | 180.0° |
| C02 | N03 | C04 | H6 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 57.5° | 180.0° |
| C02 | N03 | C04 | H7 | 63.3° | 60.0° |
| C02 | N03 | C04 | H8 | 178.2° | 60.0° |
| N03 | C04 | C05 | H7 | 120.8° | 120.0° |
| N03 | C04 | C05 | H8 | 120.8° | 120.0° |
| N03 | C04 | C05 | N06 | 132.5° | 180.0° |
| N03 | C04 | H7 | H8 | 117.6° | 120.0° |
| N03 | C04 | C05 | H9 | 107.5° | 60.0° |
| N03 | C04 | C05 | H10 | 12.5° | 60.0° |
| C04 | C05 | N06 | C10 | 163.7° | 170.0° |
| C04 | C05 | N06 | C07 | 79.8° | 72.6° |
| C04 | C05 | N06 | H9 | 120.0° | 120.1° |
| C04 | C05 | N06 | H10 | 120.0° | 120.0° |
| C05 | C04 | N03 | H6 | 122.5° | 0.0° |
| C05 | C04 | H7 | H8 | 117.5° | 120.0° |
| C04 | C05 | H9 | H10 | 120.1° | 120.0° |
| C10 | N06 | C07 | C05 | 120.1° | 120.6° |
| N06 | C10 | C09 | H1 | 119.3° | 119.4° |
| N06 | C10 | C09 | H2 | 119.2° | 119.6° |
| N06 | C10 | C09 | C08 | 30.9° | 1.2° |
| C10 | N06 | C07 | C08 | 2.4° | 39.2° |
| N06 | C10 | H1 | H2 | 122.1° | 121.3° |
| C10 | N06 | C05 | H9 | 76.3° | 70.0° |
| C10 | N06 | C05 | H10 | 43.7° | 50.0° |
| C10 | N06 | C07 | H12 | 122.0° | 157.6° |
| C10 | N06 | C07 | H13 | 117.2° | 79.3° |
| N06 | C10 | C09 | H16 | 150.4° | 120.1° |
| N06 | C10 | C09 | H17 | 88.6° | 117.7° |
| C07 | N06 | C10 | C09 | 22.2° | 25.3° |
| N06 | C07 | C08 | C09 | 15.3° | 37.4° |
| N06 | C07 | C08 | H12 | 119.6° | 118.5° |
| N06 | C07 | C08 | H13 | 119.6° | 118.4° |
| C07 | N06 | C10 | H1 | 97.1° | 94.1° |
| C07 | N06 | C10 | H2 | 141.4° | 144.8° |
| C07 | N06 | C05 | H9 | 40.2° | 47.5° |
| C07 | N06 | C05 | H10 | 160.2° | 167.4° |
| N06 | C07 | H12 | H13 | 121.1° | 123.1° |
| N06 | C07 | C08 | H14 | 104.3° | 81.0° |
| N06 | C07 | C08 | H15 | 134.8° | 156.0° |
| C05 | N06 | C10 | C09 | 141.6° | 145.8° |
| C05 | N06 | C07 | C08 | 122.5° | 159.7° |
| C05 | N06 | C10 | H1 | 22.3° | 26.5° |
| C05 | N06 | C10 | H2 | 99.2° | 94.7° |
| N06 | C05 | C04 | H7 | 11.7° | 60.0° |
| N06 | C05 | C04 | H8 | 106.8° | 60.0° |
| N06 | C05 | H9 | H10 | 120.1° | 119.9° |
| C05 | N06 | C07 | H12 | 117.8° | 81.8° |
| C05 | N06 | C07 | H13 | 2.9° | 41.3° |
| C10 | C09 | C08 | H16 | 119.5° | 118.9° |
| C10 | C09 | C08 | H17 | 119.5° | 118.9° |
| C10 | C09 | C08 | C07 | 31.0° | 21.9° |
| C09 | C10 | H1 | H2 | 122.2° | 121.1° |
| C10 | C09 | C08 | H14 | 88.6° | 96.5° |
| C10 | C09 | C08 | H15 | 150.5° | 140.4° |
| C10 | C09 | H16 | H17 | 121.5° | 122.1° |
| C09 | C08 | C07 | H14 | 119.5° | 118.4° |
| C09 | C08 | C07 | H15 | 119.6° | 118.6° |
| C08 | C09 | C10 | H1 | 88.4° | 118.1° |
| C08 | C09 | C10 | H2 | 150.1° | 120.8° |
| C09 | C08 | C07 | H12 | 104.3° | 155.9° |
| C09 | C08 | C07 | H13 | 134.9° | 81.1° |
| C09 | C08 | H14 | H15 | 121.4° | 123.3° |
| C08 | C09 | H16 | H17 | 121.5° | 122.2° |
| C08 | C07 | H12 | H13 | 121.1° | 123.1° |
| C07 | C08 | H14 | H15 | 121.3° | 123.1° |
| C07 | C08 | C09 | H16 | 150.5° | 97.0° |
| C07 | C08 | C09 | H17 | 88.5° | 140.8° |
| H1 | C10 | C09 | H16 | 31.2° | 0.8° |
| H1 | C10 | C09 | H17 | 152.1° | 122.9° |
| H2 | C10 | C09 | H16 | 90.3° | 120.3° |
| H2 | C10 | C09 | H17 | 30.6° | 1.9° |
| H3 | C13 | C12 | H18 | 0.2° | 0.0° |
| H6 | N03 | C04 | H7 | 116.7° | 120.0° |
| H6 | N03 | C04 | H8 | 1.7° | 120.1° |
| H7 | C04 | C05 | H9 | 131.7° | 180.0° |
| H7 | C04 | C05 | H10 | 108.3° | 60.0° |
| H8 | C04 | C05 | H9 | 13.2° | 60.0° |
| H8 | C04 | C05 | H10 | 133.3° | 180.0° |
| H12 | C07 | C08 | H14 | 136.1° | 37.5° |
| H12 | C07 | C08 | H15 | 15.2° | 85.5° |
| H13 | C07 | C08 | H14 | 15.4° | 160.6° |
| H13 | C07 | C08 | H15 | 105.5° | 37.5° |
| H14 | C08 | C09 | H16 | 30.9° | 144.6° |
| H14 | C08 | C09 | H17 | 151.9° | 22.5° |
| H15 | C08 | C09 | H16 | 90.0° | 21.5° |
| H15 | C08 | C09 | H17 | 31.0° | 100.7° |
